Compound Identification
SMILES
CCCCCCSC1=NC2=C(N=N1)C1=CC=CC=C1NC(O2)C1=CC=C(O1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BIGMLHMBBXMHJB-UHFFFAOYSA-N
Formula
C26H25N5O4S
Mass
503.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Secondary alkylarylamines 1,3-oxazepines Alkylarylthioethers 1,2,4-triazines Furans Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Meta-oxazepine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Benzenoid - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Secondary amine - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available